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5CMP
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BU of 5cmp by Molmil
human FLRT3 LRR domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat transmembrane protein FLRT3
著者Lu, Y, Salzman, G, Arac, D.
登録日2015-07-17
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural Basis of Latrophilin-FLRT-UNC5 Interaction in Cell Adhesion.
Structure, 23, 2015
5CCC
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BU of 5ccc by Molmil
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oyen, D, Wright, P.E.
登録日2015-07-01
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
6UPZ
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BU of 6upz by Molmil
RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 3
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Oh, J, Wang, D.
登録日2019-10-18
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
5BWL
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BU of 5bwl by Molmil
Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, Coumarin-labelled succinyl peptide, NAD-dependent protein deacylase sirtuin-5, ...
著者Gai, W, Jiang, H, Liu, D.
登録日2015-06-08
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide
To be published
6LHJ
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BU of 6lhj by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C452 (compound 16) and NADPH
分子名称: 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-12-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
5BX6
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BU of 5bx6 by Molmil
PKA in complex with a halogenated phthalazinone fragment compound.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-chlorophthalazin-1(2H)-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Narayanan, D, Alam, K.A, Engh, R.A.
登録日2015-06-08
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
6YEZ
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BU of 6yez by Molmil
Plant PSI-ferredoxin-plastocyanin supercomplex
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A.
登録日2020-03-25
公開日2020-09-30
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
4ML3
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BU of 4ml3 by Molmil
X-ray structure of ComE D58A REC domain from Streptococcus pneumoniae
分子名称: Response regulator
著者Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S.
登録日2013-09-06
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae.
Nucleic Acids Res., 42, 2014
2UX8
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BU of 2ux8 by Molmil
Crystal Structure of Sphingomonas elodea ATCC 31461 Glucose-1- phosphate uridylyltransferase in Complex with glucose-1-phosphate.
分子名称: 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE
著者Aragao, D, Fialho, A.M, Marques, A.R, Frazao, C, Sa-Correia, I, Mitchell, E.P.
登録日2007-03-27
公開日2007-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Complex of Sphingomonas Elodea Atcc 31461 Glucose-1-Phosphate Uridylyltransferase with Glucose-1-Phosphate Reveals a Novel Quaternary Structure, Unique Among Nucleoside Diphosphate-Sugar Pyrophosphorylase Members.
J.Bacteriol., 189, 2007
5CFT
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BU of 5cft by Molmil
Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1
分子名称: Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ...
著者Rodionov, D, Bassenden, A.V, Berghuis, A.M.
登録日2015-07-08
公開日2016-03-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
1ORK
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BU of 1ork by Molmil
TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE
分子名称: 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR
著者Orth, P, Schnappinger, D, Sum, P.-E, Ellestad, G.A, Hillen, W, Saenger, W, Hinrichs, W.
登録日1998-05-21
公開日1999-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the tet repressor in complex with a novel tetracycline, 9-(N,N-dimethylglycylamido)- 6-demethyl-6-deoxy-tetracycline.
J.Mol.Biol., 285, 1999
5BZZ
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BU of 5bzz by Molmil
Crystal structure of human phosphatase PTEN in its reduced state
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-11
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
1OJY
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BU of 1ojy by Molmil
Decay accelerating factor (cd55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK2
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BU of 1ok2 by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
2UYT
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BU of 2uyt by Molmil
Structure of L-rhamnulose kinase in complex with ADP and beta-L- rhamnulose.
分子名称: 6-deoxy-beta-L-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, RHAMNULOKINASE
著者Grueninger, D, Schulz, G.E.
登録日2007-04-13
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substrate Spectrum of L-Rhamnulose Kinase Related to Models Derived from Two Ternary Complex Structures.
FEBS Lett., 581, 2007
5C0L
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BU of 5c0l by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2
分子名称: 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-12
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
6V7B
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BU of 6v7b by Molmil
Cryo-EM reconstruction of Pyrobaculum filamentous virus 2 (PFV2)
分子名称: A-DNA, Structural protein VP1, Structural protein VP2
著者Wang, F, Baquero, D.P, Su, Z, Prangishvili, D, Krupovic, M, Egelman, E.H.
登録日2019-12-08
公開日2020-04-01
最終更新日2020-05-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of a filamentous virus uncovers familial ties within the archaeal virosphere.
Virus Evol, 6, 2020
6YKE
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BU of 6yke by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_038
分子名称: (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YL0
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BU of 6yl0 by Molmil
Crystal structure of YTHDC1 with compound T_96
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1, ...
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of YTHDC1 with compound T_96
To Be Published
6YL9
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BU of 6yl9 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_085
分子名称: 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
5CLS
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BU of 5cls by Molmil
Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31a
分子名称: (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, CHLORIDE ION, CITRIC ACID, ...
著者Janowski, R, Miller, A.K, Niessing, D.
登録日2015-07-16
公開日2016-01-13
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
6L34
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BU of 6l34 by Molmil
Crystal structure of the HMG domain of human FACT complex subunit SSRP1
分子名称: FACT complex subunit SSRP1
著者Li, H.Y, Hu, T.T, Dou, Y.S, Su, D.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Crystal structure of the HMG domain of human FACT complex subunit SSRP1
To Be Published
5C3K
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BU of 5c3k by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4
分子名称: (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-17
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
1OJV
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BU of 1ojv by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
6YKZ
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BU of 6ykz by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_234
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022

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